1-[(1,2-dimethylcyclobutyl)-[(2-methylpropan-2-yl)oxy]methyl]-3-methylcyclopentane

C17H32O — CID 167208142

IUPAC1-[(1,2-dimethylcyclobutyl)-[(2-methylpropan-2-yl)oxy]methyl]-3-methylcyclopentane
SMILESCC1CCC(C(OC(C)(C)C)C2(C)CCC2C)C1
InChIInChI=1S/C17H32O/c1-12-7-8-14(11-12)15(18-16(3,4)5)17(6)10-9-13(17)2/h12-15H,7-11H2,1-6H3
InChIKeyHEHJWEOSGZKERT-UHFFFAOYSA-N
MW252.44 g/mol
LogP5.04
Rot. Bonds3

About 1-[(1,2-dimethylcyclobutyl)-[(2-methylpropan-2-yl)oxy]methyl]-3-methylcyclopentane

1-[(1,2-dimethylcyclobutyl)-[(2-methylpropan-2-yl)oxy]methyl]-3-methylcyclopentane (PubChem CID 167208142) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is 1-[(1,2-dimethylcyclobutyl)-[(2-methylpropan-2-yl)oxy]methyl]-3-methylcyclopentane.

Molecular Properties

Compound Name1-[(1,2-dimethylcyclobutyl)-[(2-methylpropan-2-yl)oxy]methyl]-3-methylcyclopentane
PubChem CID167208142
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name1-[(1,2-dimethylcyclobutyl)-[(2-methylpropan-2-yl)oxy]methyl]-3-methylcyclopentane
SMILESCC1CCC(C(OC(C)(C)C)C2(C)CCC2C)C1
InChIInChI=1S/C17H32O/c1-12-7-8-14(11-12)15(18-16(3,4)5)17(6)10-9-13(17)2/h12-15H,7-11H2,1-6H3
InChIKeyHEHJWEOSGZKERT-UHFFFAOYSA-N
XLogP5.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.44
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,2-dimethylcyclobutyl)-[(2-methylpropan-2-yl)oxy]methyl]-3-methylcyclopentane?
The IUPAC name of 1-[(1,2-dimethylcyclobutyl)-[(2-methylpropan-2-yl)oxy]methyl]-3-methylcyclopentane (CID 167208142) is 1-[(1,2-dimethylcyclobutyl)-[(2-methylpropan-2-yl)oxy]methyl]-3-methylcyclopentane.
What is the SMILES notation for 1-[(1,2-dimethylcyclobutyl)-[(2-methylpropan-2-yl)oxy]methyl]-3-methylcyclopentane?
The canonical SMILES for 1-[(1,2-dimethylcyclobutyl)-[(2-methylpropan-2-yl)oxy]methyl]-3-methylcyclopentane is CC1CCC(C(OC(C)(C)C)C2(C)CCC2C)C1.
What is the InChIKey of 1-[(1,2-dimethylcyclobutyl)-[(2-methylpropan-2-yl)oxy]methyl]-3-methylcyclopentane?
The InChIKey is HEHJWEOSGZKERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O/c1-12-7-8-14(11-12)15(18-16(3,4)5)17(6)10-9-13(17)2/h12-15H,7-11H2,1-6H3.
What are the key properties of 1-[(1,2-dimethylcyclobutyl)-[(2-methylpropan-2-yl)oxy]methyl]-3-methylcyclopentane?
1-[(1,2-dimethylcyclobutyl)-[(2-methylpropan-2-yl)oxy]methyl]-3-methylcyclopentane has a molecular weight of 252.44 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,2-dimethylcyclobutyl)-[(2-methylpropan-2-yl)oxy]methyl]-3-methylcyclopentane is sourced from PubChem (CID 167208142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).